UCSF

ZINC44995058

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.59 7.86 -32.25 2 2 1 16 253.454 4
Mid Mid (pH 6-8) 3.59 7.2 -36.36 2 2 1 20 253.454 4
Lo Low (pH 4.5-6) 3.59 9.13 -102.23 3 2 2 21 254.462 4

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.